6-carbamimidoyl-N-(1-propan-2-yl-3,4-dihydroisoquinolin-7-yl)-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide

Systemtic Name: 6-carbamimidoyl-N-(1-propan-2-yl-3,4-dihydroisoquinolin-7-yl)-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide Openeye Name: 6-carbamimidoyl-N-(1-isopropyl-3,4-dihydroisoquinolin-7-yl)-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide CAS Name: 6-carbamimidoyl-N-(1-propan-2-yl-3,4-dihydroisoquinolin-7-yl)-4-(2-pyrimidinylamino)-2-naphthalenecarboxamide IUPAC Name: 6-carbamimidoyl-N-(1-propan-2-yl-3,4-dihydroisoquinolin-7-yl)-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide Traditional Name: 6-amidino-N-(1-isopropyl-3,4-dihydroisoquinolin-7-yl)-4-(2-pyrimidylamino)-2-naphthamide Formula: C28H27N7O MolecularWeight: 477.56028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NCCC2=C1C=C(C=C2)NC(=O)C3=CC(=C4C=C(C=CC4=C3)C(=N)N)NC5=NC=CC=N5

Isomeric SMILES

CC(C)C1=NCCC2=C1C=C(C=C2)NC(=O)C3=CC(=C4C=C(C=CC4=C3)C(=N)N)NC5=NC=CC=N5

InChI

InChI=1S/C28H27N7O/c1-16(2)25-23-15-21(7-6-17(23)8-11-31-25)34-27(36)20-12-18-4-5-19(26(29)30)13-22(18)24(14-20)35-28-32-9-3-10-33-28/h3-7,9-10,12-16H,8,11H2,1-2H3,(H3,29,30)(H,34,36)(H,32,33,35)