2-[cyclopropyl-(4-methylpiperazin-1-yl)methyl]-3-(phenylmethyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[cyclopropyl-(4-methylpiperazin-1-yl)methyl]-3-(phenylmethyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-benzyl-2-[cyclopropyl-(4-methylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[cyclopropyl-(4-methyl-1-piperazinyl)methyl]-3-(phenylmethyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-benzyl-2-[cyclopropyl-(4-methylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-benzyl-2-[cyclopropyl-(4-methylpiperazino)methyl]thieno[2,3-d]pyrimidin-4-one Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(C2CC2)C3=NC4=C(C=CS4)C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)C(C2CC2)C3=NC4=C(C=CS4)C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C22H26N4OS/c1-24-10-12-25(13-11-24)19(17-7-8-17)20-23-21-18(9-14-28-21)22(27)26(20)15-16-5-3-2-4-6-16/h2-6,9,14,17,19H,7-8,10-13,15H2,1H3