N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-1,3-thiazol-2-amine

Systemtic Name: N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-1,3-thiazol-2-amine Openeye Name: N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]thiazol-2-amine CAS Name: N-[6-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-2-thiazolamine IUPAC Name: N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-1,3-thiazol-2-amine Traditional Name: [6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-thiazol-2-yl-amine Formula: C18H19N7O3S MolecularWeight: 413.45356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=NC=CS4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=NC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C18H19N7O3S/c1-28-14-4-2-13(3-5-14)23-7-9-24(10-8-23)17-15(25(26)27)16(20-12-21-17)22-18-19-6-11-29-18/h2-6,11-12H,7-10H2,1H3,(H,19,20,21,22)