3-[4-oxidanylidene-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione

Systemtic Name: 3-[4-oxidanylidene-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione Openeye Name: 3-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione CAS Name: 3-[4-oxo-4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione IUPAC Name: 3-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione Traditional Name: 3-[4-keto-4-[4-(2-pyrimidyl)piperazino]butyl]-1H-thieno[3,2-d]pyrimidine-2,4-quinone Formula: C18H20N6O3S MolecularWeight: 400.4548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CCCN3C(=O)C4=C(C=CS4)NC3=O

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCCN3C(=O)C4=C(C=CS4)NC3=O

InChI

InChI=1S/C18H20N6O3S/c25-14(22-8-10-23(11-9-22)17-19-5-2-6-20-17)3-1-7-24-16(26)15-13(4-12-28-15)21-18(24)27/h2,4-6,12H,1,3,7-11H2,(H,21,27)