4-(1-oxidanylidene-1,4-thiazinan-4-yl)-8-(phenylmethylsulfanyl)-N-propyl-pyrimido[5,4-d]pyrimidin-2-amine

Systemtic Name: 4-(1-oxidanylidene-1,4-thiazinan-4-yl)-8-(phenylmethylsulfanyl)-N-propyl-pyrimido[5,4-d]pyrimidin-2-amine Openeye Name: 8-benzylsulfanyl-4-(1-oxo-1,4-thiazinan-4-yl)-N-propyl-pyrimido[5,4-d]pyrimidin-2-amine CAS Name: 4-(1-oxo-1,4-thiazinan-4-yl)-8-(phenylmethylthio)-N-propyl-2-pyrimido[5,4-d]pyrimidinamine IUPAC Name: 8-benzylsulfanyl-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrimido[5,4-d]pyrimidin-2-amine Traditional Name: [8-(benzylthio)-4-(1-keto-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-2-yl]-propyl-amine Formula: C20H24N6OS2 MolecularWeight: 428.57416

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC2=C(C(=N1)N3CCS(=O)CC3)N=CN=C2SCC4=CC=CC=C4

Isomeric SMILES

CCCNC1=NC2=C(C(=N1)N3CCS(=O)CC3)N=CN=C2SCC4=CC=CC=C4

InChI

InChI=1S/C20H24N6OS2/c1-2-8-21-20-24-17-16(18(25-20)26-9-11-29(27)12-10-26)22-14-23-19(17)28-13-15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3,(H,21,24,25)