9-(cyclohexylmethyl)-N2-(3-phenylpropyl)purine-2,6-diamine

Systemtic Name: 9-(cyclohexylmethyl)-N2-(3-phenylpropyl)purine-2,6-diamine Openeye Name: 9-(cyclohexylmethyl)-N2-(3-phenylpropyl)purine-2,6-diamine CAS Name: 9-(cyclohexylmethyl)-N2-(3-phenylpropyl)purine-2,6-diamine IUPAC Name: 9-(cyclohexylmethyl)-2-N-(3-phenylpropyl)purine-2,6-diamine Traditional Name: [6-amino-9-(cyclohexylmethyl)purin-2-yl]-(3-phenylpropyl)amine Formula: C21H28N6 MolecularWeight: 364.48722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C=NC3=C2N=C(N=C3N)NCCCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)CN2C=NC3=C2N=C(N=C3N)NCCCC4=CC=CC=C4

InChI

InChI=1S/C21H28N6/c22-19-18-20(27(15-24-18)14-17-10-5-2-6-11-17)26-21(25-19)23-13-7-12-16-8-3-1-4-9-16/h1,3-4,8-9,15,17H,2,5-7,10-14H2,(H3,22,23,25,26)