8-[2-[(Z)-[4,6-bis(oxidanylidene)-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]hydrazinyl]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[2-[(Z)-[4,6-bis(oxidanylidene)-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]hydrazinyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[2-[(Z)-(4,6-dioxo-1-phenyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]hydrazino]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[[(Z)-(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]hydrazo]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[2-[(Z)-(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]hydrazinyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[N'-[(Z)-(4,6-diketo-1-phenyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]hydrazino]-1,3,7-trimethyl-xanthine Formula: C19H18N8O4S MolecularWeight: 454.46242

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NNC=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1NN/C=C\3/C(=O)NC(=S)N(C3=O)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H18N8O4S/c1-24-12-13(25(2)19(31)26(3)16(12)30)21-17(24)23-20-9-11-14(28)22-18(32)27(15(11)29)10-7-5-4-6-8-10/h4-9,20H,1-3H3,(H,21,23)(H,22,28,32)/b11-9-