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

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidine Openeye Name: 4-(4-chlorophenyl)sulfanyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidine CAS Name: 4-[(4-chlorophenyl)thio]-6-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitropyrimidine IUPAC Name: 4-(4-chlorophenyl)sulfanyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidine Traditional Name: 4-[(4-chlorophenyl)thio]-6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidine Formula: C21H20ClN5O3S MolecularWeight: 457.9332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN5O3S/c1-30-17-6-4-16(5-7-17)25-10-12-26(13-11-25)20-19(27(28)29)21(24-14-23-20)31-18-8-2-15(22)3-9-18/h2-9,14H,10-13H2,1H3