N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-methyl-2-methylsulfanyl-pyrimidine-5-carboxamide

Systemtic Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-methyl-2-methylsulfanyl-pyrimidine-5-carboxamide Openeye Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-methyl-2-methylsulfanyl-pyrimidine-5-carboxamide CAS Name: N-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl]-4-methyl-2-(methylthio)-5-pyrimidinecarboxamide IUPAC Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide Traditional Name: N-[3-[4-(4-methoxyphenyl)piperazino]propyl]-4-methyl-2-(methylthio)pyrimidine-5-carboxamide Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)NCCCN2CCN(CC2)C3=CC=C(C=C3)OC)SC

Isomeric SMILES

CC1=NC(=NC=C1C(=O)NCCCN2CCN(CC2)C3=CC=C(C=C3)OC)SC

InChI

InChI=1S/C21H29N5O2S/c1-16-19(15-23-21(24-16)29-3)20(27)22-9-4-10-25-11-13-26(14-12-25)17-5-7-18(28-2)8-6-17/h5-8,15H,4,9-14H2,1-3H3,(H,22,27)