4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-6-phenylsulfanyl-pyrimidine

Systemtic Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-6-phenylsulfanyl-pyrimidine Openeye Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-6-phenylsulfanyl-pyrimidine CAS Name: 4-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitro-6-(phenylthio)pyrimidine IUPAC Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-6-phenylsulfanylpyrimidine Traditional Name: 4-[4-(4-methoxyphenyl)piperazino]-5-nitro-6-(phenylthio)pyrimidine Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)SC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)SC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O3S/c1-29-17-9-7-16(8-10-17)24-11-13-25(14-12-24)20-19(26(27)28)21(23-15-22-20)30-18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3