N'-(3-methylbutyl)-4-[6-methyl-2-[4-[N'-(3-methylbutyl)carbamimidoyl]phenyl]pyrimidin-4-yl]benzenecarboximidamide

Systemtic Name: N'-(3-methylbutyl)-4-[6-methyl-2-[4-[N'-(3-methylbutyl)carbamimidoyl]phenyl]pyrimidin-4-yl]benzenecarboximidamide Openeye Name: N'-isopentyl-4-[2-[4-(N'-isopentylcarbamimidoyl)phenyl]-6-methyl-pyrimidin-4-yl]benzamidine CAS Name: 4-[2-[4-[amino(3-methylbutylimino)methyl]phenyl]-6-methyl-4-pyrimidinyl]-N'-(3-methylbutyl)benzenecarboximidamide IUPAC Name: N'-(3-methylbutyl)-4-[6-methyl-2-[4-[N'-(3-methylbutyl)carbamimidoyl]phenyl]pyrimidin-4-yl]benzenecarboximidamide Traditional Name: N'-isoamyl-4-[2-[4-(N'-isoamylamidino)phenyl]-6-methyl-pyrimidin-4-yl]benzamidine Formula: C29H38N6 MolecularWeight: 470.65222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=C(C=C2)C(=NCCC(C)C)N)C3=CC=C(C=C3)C(=NCCC(C)C)N

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=C(C=C2)C(=NCCC(C)C)N)C3=CC=C(C=C3)C(=NCCC(C)C)N

InChI

InChI=1S/C29H38N6/c1-19(2)14-16-32-27(30)23-8-6-22(7-9-23)26-18-21(5)34-29(35-26)25-12-10-24(11-13-25)28(31)33-17-15-20(3)4/h6-13,18-20H,14-17H2,1-5H3,(H2,30,32)(H2,31,33)