N4-(1H-indol-4-yl)-5-nitro-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine hydrochloride

Systemtic Name: N4-(1H-indol-4-yl)-5-nitro-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine hydrochloride Openeye Name: N4-(1H-indol-4-yl)-5-nitro-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine hydrochloride CAS Name: N4-(1H-indol-4-yl)-5-nitro-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine hydrochloride IUPAC Name: 4-N-(1H-indol-4-yl)-5-nitro-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine hydrochloride Traditional Name: 1H-indol-4-yl-[5-nitro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amine hydrochloride Formula: C21H21ClN6O5 MolecularWeight: 472.88164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=NC=C(C(=N2)NC3=CC=CC4=C3C=CN4)[N+](=O)[O-].Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=NC=C(C(=N2)NC3=CC=CC4=C3C=CN4)[N+](=O)[O-].Cl

InChI

InChI=1S/C21H20N6O5.ClH/c1-30-17-9-12(10-18(31-2)19(17)32-3)24-21-23-11-16(27(28)29)20(26-21)25-15-6-4-5-14-13(15)7-8-22-14;/h4-11,22H,1-3H3,(H2,23,24,25,26);1H