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

Systemtic Name: 3-methyl-5-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]-7-propan-2-yl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-isopropyl-3-methyl-5-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 3-methyl-5-[(4-oxo-1,2,3-benzotriazin-3-yl)methylthio]-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 3-methyl-5-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-isopropyl-5-[(4-keto-1,2,3-benzotriazin-3-yl)methylthio]-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H23N7O3S MolecularWeight: 453.51742

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C(C)C)SCN3C(=O)C4=CC=CC=C4N=N3)C(=O)N(C1=O)C

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)C(C)C)SCN3C(=O)C4=CC=CC=C4N=N3)C(=O)N(C1=O)C

InChI

InChI=1S/C21H23N7O3S/c1-5-10-27-17-15(20(30)26(4)21(27)31)18(23-16(22-17)12(2)3)32-11-28-19(29)13-8-6-7-9-14(13)24-25-28/h6-9,12H,5,10-11H2,1-4H3