2-[[8-(methylamino)-6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol

Systemtic Name: 2-[[8-(methylamino)-6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol Openeye Name: 2-[[6-(benzylamino)-9-isopropyl-8-(methylamino)purin-2-yl]amino]butan-1-ol CAS Name: 2-[[8-(methylamino)-6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]-1-butanol IUPAC Name: 2-[[6-(benzylamino)-8-(methylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol Traditional Name: 2-[[6-(benzylamino)-9-isopropyl-8-(methylamino)purin-2-yl]amino]butan-1-ol Formula: C20H29N7O MolecularWeight: 383.49056

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC2=C(C(=N1)NCC3=CC=CC=C3)N=C(N2C(C)C)NC

Isomeric SMILES

CCC(CO)NC1=NC2=C(C(=N1)NCC3=CC=CC=C3)N=C(N2C(C)C)NC

InChI

InChI=1S/C20H29N7O/c1-5-15(12-28)23-19-25-17(22-11-14-9-7-6-8-10-14)16-18(26-19)27(13(2)3)20(21-4)24-16/h6-10,13,15,28H,5,11-12H2,1-4H3,(H,21,24)(H2,22,23,25,26)