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

Systemtic Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine Openeye Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-N-[2-(2-thienyl)ethyl]pyrimidin-4-amine CAS Name: 6-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitro-N-(2-thiophen-2-ylethyl)-4-pyrimidinamine IUPAC Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine Traditional Name: [6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-[2-(2-thienyl)ethyl]amine Formula: C21H24N6O3S MolecularWeight: 440.51866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)NCCC4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)NCCC4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O3S/c1-30-17-6-4-16(5-7-17)25-10-12-26(13-11-25)21-19(27(28)29)20(23-15-24-21)22-9-8-18-3-2-14-31-18/h2-7,14-15H,8-13H2,1H3,(H,22,23,24)