3-azanyl-5-[4-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-ethyl]-2-(propan-2-ylamino)pyrimidin-5-yl]-N-(phenylmethyl)benzamide

Systemtic Name: 3-azanyl-5-[4-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-ethyl]-2-(propan-2-ylamino)pyrimidin-5-yl]-N-(phenylmethyl)benzamide Openeye Name: 3-amino-N-benzyl-5-[4-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxo-ethyl]-2-(isopropylamino)pyrimidin-5-yl]benzamide CAS Name: 3-amino-5-[4-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-2-(propan-2-ylamino)-5-pyrimidinyl]-N-(phenylmethyl)benzamide IUPAC Name: 3-amino-N-benzyl-5-[4-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-2-(propan-2-ylamino)pyrimidin-5-yl]benzamide Traditional Name: 3-[4-[2-[(4-amidinobenzyl)amino]-2-keto-ethyl]-2-(isopropylamino)pyrimidin-5-yl]-5-amino-N-benzyl-benzamide Formula: C31H34N8O2 MolecularWeight: 550.65406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=C(C(=N1)CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CC(=CC(=C3)N)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC(C)NC1=NC=C(C(=N1)CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CC(=CC(=C3)N)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C31H34N8O2/c1-19(2)38-31-37-18-26(27(39-31)15-28(40)35-16-21-8-10-22(11-9-21)29(33)34)23-12-24(14-25(32)13-23)30(41)36-17-20-6-4-3-5-7-20/h3-14,18-19H,15-17,32H2,1-2H3,(H3,33,34)(H,35,40)(H,36,41)(H,37,38,39)