N4-(diphenylmethyl)-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(diphenylmethyl)-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-benzhydryl-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(diphenylmethyl)-N6-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-benzhydryl-6-N-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: benzhydryl-[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=C(C(=NC=N1)NC(C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COCCCNC1=C(C(=NC=N1)NC(C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O3/c1-29-14-8-13-22-20-19(26(27)28)21(24-15-23-20)25-18(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,15,18H,8,13-14H2,1H3,(H2,22,23,24,25)