3,7-dimethyl-1-[3-[methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]propyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[3-[methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]propyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]propyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]propyl]purine-2,6-dione Traditional Name: 1-[3-[(4-keto-1H-quinazolin-2-yl)methyl-methyl-amino]propyl]-3,7-dimethyl-xanthine Formula: C20H23N7O3 MolecularWeight: 409.44172

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN(C)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN(C)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H23N7O3/c1-24(11-15-22-14-8-5-4-7-13(14)18(28)23-15)9-6-10-27-19(29)16-17(21-12-25(16)2)26(3)20(27)30/h4-5,7-8,12H,6,9-11H2,1-3H3,(H,22,23,28)