N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(2-thiophen-2-ylethyl)piperazine-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(2-thiophen-2-ylethyl)piperazine-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[2-(2-thienyl)ethyl]piperazine-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-(2-thiophen-2-ylethyl)-2-piperazinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-(2-thiophen-2-ylethyl)piperazine-2-carboxamide Traditional Name: 4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N-piperonyl-1-[2-(2-thienyl)ethyl]piperazine-2-carboxamide Formula: C27H29N7O3S MolecularWeight: 531.62926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)C(=O)NCC4=CC5=C(C=C4)OCO5)CCC6=CC=CS6

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)C(=O)NCC4=CC5=C(C=C4)OCO5)CCC6=CC=CS6

InChI

InChI=1S/C27H29N7O3S/c1-19-13-25(31-27(30-19)34-9-7-28-17-34)33-11-10-32(8-6-21-3-2-12-38-21)22(16-33)26(35)29-15-20-4-5-23-24(14-20)37-18-36-23/h2-5,7,9,12-14,17,22H,6,8,10-11,15-16,18H2,1H3,(H,29,35)