2-methyl-4-[8-(phenylmethylsulfanyl)-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl]morpholine

Systemtic Name: 2-methyl-4-[8-(phenylmethylsulfanyl)-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl]morpholine Openeye Name: 4-(8-benzylsulfanyl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl)-2-methyl-morpholine CAS Name: 2-methyl-4-[8-(phenylmethylthio)-2-(1-piperazinyl)-4-pyrimido[5,4-d]pyrimidinyl]morpholine IUPAC Name: 4-(8-benzylsulfanyl-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-yl)-2-methylmorpholine Traditional Name: 4-[8-(benzylthio)-2-piperazino-pyrimido[5,4-d]pyrimidin-4-yl]-2-methyl-morpholine Formula: C22H27N7OS MolecularWeight: 437.56108

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCO1)C2=NC(=NC3=C2N=CN=C3SCC4=CC=CC=C4)N5CCNCC5

Isomeric SMILES

CC1CN(CCO1)C2=NC(=NC3=C2N=CN=C3SCC4=CC=CC=C4)N5CCNCC5

InChI

InChI=1S/C22H27N7OS/c1-16-13-29(11-12-30-16)20-18-19(26-22(27-20)28-9-7-23-8-10-28)21(25-15-24-18)31-14-17-5-3-2-4-6-17/h2-6,15-16,23H,7-14H2,1H3