6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

Systemtic Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine Openeye Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-N-(3-pyridylmethyl)pyrimidin-4-amine CAS Name: 6-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitro-N-(3-pyridinylmethyl)-4-pyrimidinamine IUPAC Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine Traditional Name: [6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C21H23N7O3 MolecularWeight: 421.45242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N7O3/c1-31-18-6-4-17(5-7-18)26-9-11-27(12-10-26)21-19(28(29)30)20(24-15-25-21)23-14-16-3-2-8-22-13-16/h2-8,13,15H,9-12,14H2,1H3,(H,23,24,25)