N-methyl-4-(1-oxidanylidene-1,4-thiazinan-4-yl)-N-(phenylmethyl)-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-8-amine

Systemtic Name: N-methyl-4-(1-oxidanylidene-1,4-thiazinan-4-yl)-N-(phenylmethyl)-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-8-amine Openeye Name: N-benzyl-N-methyl-4-(1-oxo-1,4-thiazinan-4-yl)-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-8-amine CAS Name: N-methyl-4-(1-oxo-1,4-thiazinan-4-yl)-N-(phenylmethyl)-2-(1-piperazinyl)-8-pyrimido[5,4-d]pyrimidinamine IUPAC Name: N-benzyl-N-methyl-4-(1-oxo-1,4-thiazinan-4-yl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-8-amine Traditional Name: benzyl-[4-(1-keto-1,4-thiazinan-4-yl)-2-piperazino-pyrimido[5,4-d]pyrimidin-8-yl]-methyl-amine Formula: C22H28N8OS MolecularWeight: 452.57572

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC3=C2N=C(N=C3N4CCS(=O)CC4)N5CCNCC5

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC3=C2N=C(N=C3N4CCS(=O)CC4)N5CCNCC5

InChI

InChI=1S/C22H28N8OS/c1-28(15-17-5-3-2-4-6-17)20-19-18(24-16-25-20)21(29-11-13-32(31)14-12-29)27-22(26-19)30-9-7-23-8-10-30/h2-6,16,23H,7-15H2,1H3