5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-7,8-dimethoxy-2,2-dimethyl-3H-chromen-4-one

Systemtic Name: 5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-7,8-dimethoxy-2,2-dimethyl-3H-chromen-4-one Openeye Name: 5-[(2,4-diaminopyrimidin-5-yl)methyl]-7,8-dimethoxy-2,2-dimethyl-chroman-4-one CAS Name: 5-[(2,4-diamino-5-pyrimidinyl)methyl]-7,8-dimethoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 5-[(2,4-diaminopyrimidin-5-yl)methyl]-7,8-dimethoxy-2,2-dimethyl-3H-chromen-4-one Traditional Name: 5-[(2,4-diaminopyrimidin-5-yl)methyl]-7,8-dimethoxy-2,2-dimethyl-chroman-4-one Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=C(O1)C(=C(C=C2CC3=CN=C(N=C3N)N)OC)OC)C

Isomeric SMILES

CC1(CC(=O)C2=C(O1)C(=C(C=C2CC3=CN=C(N=C3N)N)OC)OC)C

InChI

InChI=1S/C18H22N4O4/c1-18(2)7-11(23)13-9(5-10-8-21-17(20)22-16(10)19)6-12(24-3)14(25-4)15(13)26-18/h6,8H,5,7H2,1-4H3,(H4,19,20,21,22)