7-hexyl-3-methyl-5-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 7-hexyl-3-methyl-5-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-hexyl-3-methyl-5-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-hexyl-3-methyl-5-[(4-oxo-1,2,3-benzotriazin-3-yl)methylthio]-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-hexyl-3-methyl-5-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-hexyl-5-[(4-keto-1,2,3-benzotriazin-3-yl)methylthio]-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C24H29N7O3S MolecularWeight: 495.59716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC2=C(C(=N1)SCN3C(=O)C4=CC=CC=C4N=N3)C(=O)N(C(=O)N2CCC)C

Isomeric SMILES

CCCCCCC1=NC2=C(C(=N1)SCN3C(=O)C4=CC=CC=C4N=N3)C(=O)N(C(=O)N2CCC)C

InChI

InChI=1S/C24H29N7O3S/c1-4-6-7-8-13-18-25-20-19(23(33)29(3)24(34)30(20)14-5-2)21(26-18)35-15-31-22(32)16-11-9-10-12-17(16)27-28-31/h9-12H,4-8,13-15H2,1-3H3