1-[4-ethoxy-3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]-3-ethyl-2-(phenylmethyl)guanidine

Systemtic Name: 1-[4-ethoxy-3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]-3-ethyl-2-(phenylmethyl)guanidine Openeye Name: 2-benzyl-1-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]-3-ethyl-guanidine CAS Name: 1-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]-3-ethyl-2-(phenylmethyl)guanidine IUPAC Name: 2-benzyl-1-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]-3-ethylguanidine Traditional Name: 2-benzyl-1-[4-ethoxy-3-(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]-3-ethyl-guanidine Formula: C27H33N7O2 MolecularWeight: 487.59662

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)NC(=NCC4=CC=CC=C4)NCC)OCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)NC(=NCC4=CC=CC=C4)NCC)OCC)C

InChI

InChI=1S/C27H33N7O2/c1-5-11-21-23-24(34(4)33-21)26(35)32-25(31-23)20-16-19(14-15-22(20)36-7-3)30-27(28-6-2)29-17-18-12-9-8-10-13-18/h8-10,12-16H,5-7,11,17H2,1-4H3,(H2,28,29,30)(H,31,32,35)