5-[(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol hydrate hydrochloride

Systemtic Name: 5-[(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol hydrate hydrochloride Openeye Name: 5-[(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol hydrate hydrochloride CAS Name: 5-[(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]-1-pentanol hydrate hydrochloride IUPAC Name: 5-[(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol hydrate hydrochloride Traditional Name: 5-[(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol hydrate hydrochloride Formula: C18H25ClN4O2 MolecularWeight: 364.8697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)NCCCCCO)NC(=C2)C3=CC=CC=C3.O.Cl

Isomeric SMILES

CC1=NC2=C(C(=N1)NCCCCCO)NC(=C2)C3=CC=CC=C3.O.Cl

InChI

InChI=1S/C18H22N4O.ClH.H2O/c1-13-20-16-12-15(14-8-4-2-5-9-14)22-17(16)18(21-13)19-10-6-3-7-11-23;;/h2,4-5,8-9,12,22-23H,3,6-7,10-11H2,1H3,(H,19,20,21);1H;1H2