(phenylmethyl) N-[6-[(4-carbamimidoylphenyl)methylcarbamoyl]-6-methyl-4-oxidanylidene-7,8-dihydropyrrolo[1,2-a]pyrimidin-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[6-[(4-carbamimidoylphenyl)methylcarbamoyl]-6-methyl-4-oxidanylidene-7,8-dihydropyrrolo[1,2-a]pyrimidin-3-yl]carbamate Openeye Name: benzyl N-[6-[(4-carbamimidoylphenyl)methylcarbamoyl]-6-methyl-4-oxo-7,8-dihydropyrrolo[1,2-a]pyrimidin-3-yl]carbamate CAS Name: N-[6-[[(4-carbamimidoylphenyl)methylamino]-oxomethyl]-6-methyl-4-oxo-7,8-dihydropyrrolo[1,2-a]pyrimidin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[6-[(4-carbamimidoylphenyl)methylcarbamoyl]-6-methyl-4-oxo-7,8-dihydropyrrolo[1,2-a]pyrimidin-3-yl]carbamate Traditional Name: N-[6-[(4-amidinobenzyl)carbamoyl]-4-keto-6-methyl-7,8-dihydropyrrolo[1,2-a]pyrimidin-3-yl]carbamic acid benzyl ester Formula: C25H26N6O4 MolecularWeight: 474.51174

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2=NC=C(C(=O)N21)NC(=O)OCC3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CC1(CCC2=NC=C(C(=O)N21)NC(=O)OCC3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H26N6O4/c1-25(23(33)29-13-16-7-9-18(10-8-16)21(26)27)12-11-20-28-14-19(22(32)31(20)25)30-24(34)35-15-17-5-3-2-4-6-17/h2-10,14H,11-13,15H2,1H3,(H3,26,27)(H,29,33)(H,30,34)