title: Ethyl 2-isopropyl-amino-6-methyl-8-oxo-3-phenyl-3H,8H-furo[2,3-d][1,2,4]triazolo[1,5-a]pyrimidine-7-carboxyl-ate.
abstract: In the title compound, C(20)H(21)N(5)O(4), the ring system containing the three fused rings is essentially planar (r.m.s. deviation for all 12 non-H atoms = 0.041 Å). The phenyl ring makes a dihedral angle of 54.41 (6)° with this ring system. The isopropyl group is disordered over two positions, with site-occupancy factors of 0.753 (9) and 0.247 (9). The structure is mainly stabilized by weak inter-molecular N-H⋯O and intra-molecular C-H⋯O hydrogen-bonding inter-actions and π-π inter-actions, with inter-planar distances of 3.415 (1) Å between adjacent furan ring centroids and 3.420 (1) Å between the benzene and pyrimidinone rings.
authors: Qing
authors: Q
authors: Li
authors: Xian-Yu
authors: XY
authors: Wang
authors: Cheng-Ming
authors: CM
authors: Qin
authors: Yan-Lin
authors: YL
authors: Wang
references: J Org Chem. 2004 Nov 26;69(24):8366-71
references: 15549808
references: Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22
references: 18156677
references: Acta Crystallogr D Biol Crystallogr. 2009 Feb;65(Pt 2):148-55
references: 19171970
references: Acta Crystallogr Sect E Struct Rep Online. 2007 Dec 21;64(Pt 1):o321-2
references: 21200883