4-[8-(4-methylphenyl)sulfanyl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl]-1,4-thiazinane 1-oxide

Systemtic Name: 4-[8-(4-methylphenyl)sulfanyl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl]-1,4-thiazinane 1-oxide Openeye Name: 4-[2-piperazin-1-yl-8-(p-tolylsulfanyl)pyrimido[5,4-d]pyrimidin-4-yl]-1,4-thiazinane 1-oxide CAS Name: 4-[8-[(4-methylphenyl)thio]-2-(1-piperazinyl)-4-pyrimido[5,4-d]pyrimidinyl]-1,4-thiazinane 1-oxide IUPAC Name: 4-[8-(4-methylphenyl)sulfanyl-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-yl]-1,4-thiazinane 1-oxide Traditional Name: 4-[2-piperazino-8-(p-tolylthio)pyrimido[5,4-d]pyrimidin-4-yl]-1,4-thiazinane 1-oxide Formula: C21H25N7OS2 MolecularWeight: 455.5995

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC3=C2N=C(N=C3N4CCS(=O)CC4)N5CCNCC5

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC3=C2N=C(N=C3N4CCS(=O)CC4)N5CCNCC5

InChI

InChI=1S/C21H25N7OS2/c1-15-2-4-16(5-3-15)30-20-18-17(23-14-24-20)19(27-10-12-31(29)13-11-27)26-21(25-18)28-8-6-22-7-9-28/h2-5,14,22H,6-13H2,1H3