5-[2-[bis(azanyl)methylideneamino]-6-imidazol-1-yl-pyrimidin-4-yl]-N-(phenylmethyl)pentanamide

Systemtic Name: 5-[2-[bis(azanyl)methylideneamino]-6-imidazol-1-yl-pyrimidin-4-yl]-N-(phenylmethyl)pentanamide Openeye Name: N-benzyl-5-(2-guanidino-6-imidazol-1-yl-pyrimidin-4-yl)pentanamide CAS Name: 5-[2-(diaminomethylideneamino)-6-(1-imidazolyl)-4-pyrimidinyl]-N-(phenylmethyl)pentanamide IUPAC Name: N-benzyl-5-[2-(diaminomethylideneamino)-6-imidazol-1-ylpyrimidin-4-yl]pentanamide Traditional Name: N-benzyl-5-(2-guanidino-6-imidazol-1-yl-pyrimidin-4-yl)valeramide Formula: C20H24N8O MolecularWeight: 392.45756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CCCCC2=CC(=NC(=N2)N=C(N)N)N3C=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CCCCC2=CC(=NC(=N2)N=C(N)N)N3C=CN=C3

InChI

InChI=1S/C20H24N8O/c21-19(22)27-20-25-16(12-17(26-20)28-11-10-23-14-28)8-4-5-9-18(29)24-13-15-6-2-1-3-7-15/h1-3,6-7,10-12,14H,4-5,8-9,13H2,(H,24,29)(H4,21,22,25,26,27)