N-cyclopropyl-2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-cyclopropyl-2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-cyclopropyl-2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-cyclopropyl-2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-5-nitro-4-pyrimidinamine IUPAC Name: N-cyclopropyl-2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-5-nitropyrimidin-4-amine Traditional Name: cyclopropyl-[5-nitro-2-(4-p-anisyl-1,4-diazepan-1-yl)pyrimidin-4-yl]amine Formula: C20H26N6O3 MolecularWeight: 398.45884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C20H26N6O3/c1-29-17-7-3-15(4-8-17)14-24-9-2-10-25(12-11-24)20-21-13-18(26(27)28)19(23-20)22-16-5-6-16/h3-4,7-8,13,16H,2,5-6,9-12,14H2,1H3,(H,21,22,23)