4-azanyl-N-[4-[[(3-azanylpyrazin-2-yl)carbonylamino]methyl]phenyl]-2-methyl-quinoline-6-carboxamide

Systemtic Name: 4-azanyl-N-[4-[[(3-azanylpyrazin-2-yl)carbonylamino]methyl]phenyl]-2-methyl-quinoline-6-carboxamide Openeye Name: 4-amino-N-[4-[[(3-aminopyrazine-2-carbonyl)amino]methyl]phenyl]-2-methyl-quinoline-6-carboxamide CAS Name: 4-amino-N-[4-[[[(3-amino-2-pyrazinyl)-oxomethyl]amino]methyl]phenyl]-2-methyl-6-quinolinecarboxamide IUPAC Name: 4-amino-N-[4-[[(3-aminopyrazine-2-carbonyl)amino]methyl]phenyl]-2-methylquinoline-6-carboxamide Traditional Name: 4-amino-N-[4-[[(3-aminopyrazinoyl)amino]methyl]phenyl]-2-methyl-quinoline-6-carboxamide Formula: C23H21N7O2 MolecularWeight: 427.45854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)CNC(=O)C4=NC=CN=C4N)C(=C1)N

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)CNC(=O)C4=NC=CN=C4N)C(=C1)N

InChI

InChI=1S/C23H21N7O2/c1-13-10-18(24)17-11-15(4-7-19(17)29-13)22(31)30-16-5-2-14(3-6-16)12-28-23(32)20-21(25)27-9-8-26-20/h2-11H,12H2,1H3,(H2,24,29)(H2,25,27)(H,28,32)(H,30,31)