6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(5-methylpyridin-2-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(5-methylpyridin-2-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(5-methyl-2-pyridyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(4-methoxyphenyl)-1-piperazinyl]-N-(5-methyl-2-pyridinyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(5-methylpyridin-2-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(5-methyl-2-pyridyl)amine Formula: C21H23N7O3 MolecularWeight: 421.45242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CN=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H23N7O3/c1-15-3-8-18(22-13-15)25-20-19(28(29)30)21(24-14-23-20)27-11-9-26(10-12-27)16-4-6-17(31-2)7-5-16/h3-8,13-14H,9-12H2,1-2H3,(H,22,23,24,25)