N-[4-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-4-oxidanylidene-butyl]thiophene-3-carboxamide

Systemtic Name: N-[4-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-4-oxidanylidene-butyl]thiophene-3-carboxamide Openeye Name: N-[4-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]-4-oxo-butyl]thiophene-3-carboxamide CAS Name: N-[4-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-4-oxobutyl]-3-thiophenecarboxamide IUPAC Name: N-[4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide Traditional Name: N-[4-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]-4-keto-butyl]thiophene-3-carboxamide Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)CCCNC(=O)C3=CSC=C3

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)CCCNC(=O)C3=CSC=C3

InChI

InChI=1S/C21H29N5O2S/c1-15(2)20-23-16(3)13-18(24-20)25-8-10-26(11-9-25)19(27)5-4-7-22-21(28)17-6-12-29-14-17/h6,12-15H,4-5,7-11H2,1-3H3,(H,22,28)