N-(3-chloranyl-4-propan-2-yloxy-phenyl)-4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanamide

Systemtic Name: N-(3-chloranyl-4-propan-2-yloxy-phenyl)-4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanamide Openeye Name: N-(3-chloro-4-isopropoxy-phenyl)-4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanamide CAS Name: N-(3-chloro-4-propan-2-yloxyphenyl)-4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butanamide IUPAC Name: N-(3-chloro-4-propan-2-yloxyphenyl)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanamide Traditional Name: N-(3-chloro-4-isopropoxy-phenyl)-4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyramide Formula: C20H24ClN5O4 MolecularWeight: 433.88866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)NC(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C)Cl

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)NC(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C)Cl

InChI

InChI=1S/C20H24ClN5O4/c1-12(2)30-15-8-7-13(10-14(15)21)23-16(27)6-5-9-26-11-22-18-17(26)19(28)25(4)20(29)24(18)3/h7-8,10-12H,5-6,9H2,1-4H3,(H,23,27)