N-(2-dimethylaminoethyl)-5-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-5-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide Openeye Name: N-(2-dimethylaminoethyl)-5-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide CAS Name: N-(2-dimethylaminoethyl)-5-[[[4-[4-(4-methoxyphenyl)-1-piperazinyl]-6-methyl-2-pyrimidinyl]thio]methyl]-2-furancarboxamide IUPAC Name: N-(2-dimethylaminoethyl)-5-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide Traditional Name: N-(2-dimethylaminoethyl)-5-[[[4-[4-(4-methoxyphenyl)piperazino]-6-methyl-pyrimidin-2-yl]thio]methyl]-2-furamide Formula: C26H34N6O3S MolecularWeight: 510.65156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCCN(C)C)N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCCN(C)C)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H34N6O3S/c1-19-17-24(32-15-13-31(14-16-32)20-5-7-21(34-4)8-6-20)29-26(28-19)36-18-22-9-10-23(35-22)25(33)27-11-12-30(2)3/h5-10,17H,11-16,18H2,1-4H3,(H,27,33)