6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-N-(phenylmethyl)pyrimidin-4-amine

Systemtic Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-N-(phenylmethyl)pyrimidin-4-amine Openeye Name: N-benzyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitro-N-(phenylmethyl)-4-pyrimidinamine IUPAC Name: N-benzyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: benzyl-[6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C22H24N6O3 MolecularWeight: 420.46436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)NCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)NCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O3/c1-31-19-9-7-18(8-10-19)26-11-13-27(14-12-26)22-20(28(29)30)21(24-16-25-22)23-15-17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3,(H,23,24,25)