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

Systemtic Name: 1-[3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxy-phenyl]-2-(phenylmethyl)guanidine Openeye Name: 2-benzyl-1-[3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxy-phenyl]guanidine CAS Name: 1-[3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxyphenyl]-2-(phenylmethyl)guanidine IUPAC Name: 2-benzyl-1-[3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxyphenyl]guanidine Traditional Name: 2-benzyl-1-[3-(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxy-phenyl]guanidine Formula: C26H31N7O2 MolecularWeight: 473.57004

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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)N)OCCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)NC(=NCC4=CC=CC=C4)N)OCCC)C

InChI

InChI=1S/C26H31N7O2/c1-4-9-20-22-23(33(3)32-20)25(34)31-24(30-22)19-15-18(12-13-21(19)35-14-5-2)29-26(27)28-16-17-10-7-6-8-11-17/h6-8,10-13,15H,4-5,9,14,16H2,1-3H3,(H3,27,28,29)(H,30,31,34)