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

Systemtic Name: 4-[8-(4-methoxyphenyl)sulfanyl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl]-1,4-thiazinane 1-oxide Openeye Name: 4-[8-(4-methoxyphenyl)sulfanyl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl]-1,4-thiazinane 1-oxide CAS Name: 4-[8-[(4-methoxyphenyl)thio]-2-(1-piperazinyl)-4-pyrimido[5,4-d]pyrimidinyl]-1,4-thiazinane 1-oxide IUPAC Name: 4-[8-(4-methoxyphenyl)sulfanyl-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-yl]-1,4-thiazinane 1-oxide Traditional Name: 4-[8-[(4-methoxyphenyl)thio]-2-piperazino-pyrimido[5,4-d]pyrimidin-4-yl]-1,4-thiazinane 1-oxide Formula: C21H25N7O2S2 MolecularWeight: 471.5989

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2=NC=NC3=C2N=C(N=C3N4CCS(=O)CC4)N5CCNCC5

Isomeric SMILES

COC1=CC=C(C=C1)SC2=NC=NC3=C2N=C(N=C3N4CCS(=O)CC4)N5CCNCC5

InChI

InChI=1S/C21H25N7O2S2/c1-30-15-2-4-16(5-3-15)31-20-18-17(23-14-24-20)19(27-10-12-32(29)13-11-27)26-21(25-18)28-8-6-22-7-9-28/h2-5,14,22H,6-13H2,1H3