2-[[2-methoxy-4-(1-methylpyrrolidin-3-yl)oxy-phenyl]amino]-7-methyl-9-propan-2-yl-purin-8-one

Systemtic Name: 2-[[2-methoxy-4-(1-methylpyrrolidin-3-yl)oxy-phenyl]amino]-7-methyl-9-propan-2-yl-purin-8-one Openeye Name: 9-isopropyl-2-[2-methoxy-4-(1-methylpyrrolidin-3-yl)oxy-anilino]-7-methyl-purin-8-one CAS Name: 2-[2-methoxy-4-[(1-methyl-3-pyrrolidinyl)oxy]anilino]-7-methyl-9-propan-2-yl-8-purinone IUPAC Name: 2-[2-methoxy-4-(1-methylpyrrolidin-3-yl)oxyanilino]-7-methyl-9-propan-2-ylpurin-8-one Traditional Name: 9-isopropyl-2-[2-methoxy-4-(1-methylpyrrolidin-3-yl)oxy-anilino]-7-methyl-purin-8-one Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC(=NC=C2N(C1=O)C)NC3=C(C=C(C=C3)OC4CCN(C4)C)OC

Isomeric SMILES

CC(C)N1C2=NC(=NC=C2N(C1=O)C)NC3=C(C=C(C=C3)OC4CCN(C4)C)OC

InChI

InChI=1S/C21H28N6O3/c1-13(2)27-19-17(26(4)21(27)28)11-22-20(24-19)23-16-7-6-14(10-18(16)29-5)30-15-8-9-25(3)12-15/h6-7,10-11,13,15H,8-9,12H2,1-5H3,(H,22,23,24)