9-[4-(3-methoxypiperidin-1-yl)butyl]-2-phenylazanyl-3H-purin-6-one dichloride

Systemtic Name: 9-[4-(3-methoxypiperidin-1-yl)butyl]-2-phenylazanyl-3H-purin-6-one dichloride Openeye Name: 2-anilino-9-[4-(3-methoxy-1-piperidyl)butyl]-3H-purin-6-one dichloride CAS Name: 2-anilino-9-[4-(3-methoxy-1-piperidinyl)butyl]-3H-purin-6-one dichloride IUPAC Name: 2-anilino-9-[4-(3-methoxypiperidin-1-yl)butyl]-3H-purin-6-one dichloride Traditional Name: 2-anilino-9-[4-(3-methoxypiperidino)butyl]-3H-purin-6-one dichloride Formula: C21H28Cl2N6O2-2 MolecularWeight: 467.39202

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCCN(C1)CCCCN2C=NC3=C2NC(=NC3=O)NC4=CC=CC=C4.[Cl-].[Cl-]

Isomeric SMILES

COC1CCCN(C1)CCCCN2C=NC3=C2NC(=NC3=O)NC4=CC=CC=C4.[Cl-].[Cl-]

InChI

InChI=1S/C21H28N6O2.2ClH/c1-29-17-10-7-12-26(14-17)11-5-6-13-27-15-22-18-19(27)24-21(25-20(18)28)23-16-8-3-2-4-9-16;;/h2-4,8-9,15,17H,5-7,10-14H2,1H3,(H2,23,24,25,28);2*1H/p-2