5-[(3S)-4-[1-(2-azanyl-6-chloranyl-pyridin-3-yl)carbonylpiperidin-4-yl]-3-ethyl-piperazin-1-yl]-6-chloranyl-4-methyl-3-oxidanylidene-pyrazine-2-carboxamide

Systemtic Name: 5-[(3S)-4-[1-(2-azanyl-6-chloranyl-pyridin-3-yl)carbonylpiperidin-4-yl]-3-ethyl-piperazin-1-yl]-6-chloranyl-4-methyl-3-oxidanylidene-pyrazine-2-carboxamide Openeye Name: 5-[(3S)-4-[1-(2-amino-6-chloro-pyridine-3-carbonyl)-4-piperidyl]-3-ethyl-piperazin-1-yl]-6-chloro-4-methyl-3-oxo-pyrazine-2-carboxamide CAS Name: 5-[(3S)-4-[1-[(2-amino-6-chloro-3-pyridinyl)-oxomethyl]-4-piperidinyl]-3-ethyl-1-piperazinyl]-6-chloro-4-methyl-3-oxo-2-pyrazinecarboxamide IUPAC Name: 5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-chloro-4-methyl-3-oxopyrazine-2-carboxamide Traditional Name: 5-[(3S)-4-[1-(2-amino-6-chloro-nicotinoyl)-4-piperidyl]-3-ethyl-piperazino]-6-chloro-3-keto-4-methyl-pyrazinamide Formula: C23H30Cl2N8O3 MolecularWeight: 537.4421

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCN1C2CCN(CC2)C(=O)C3=C(N=C(C=C3)Cl)N)C4=C(N=C(C(=O)N4C)C(=O)N)Cl

Isomeric SMILES

CC[C@H]1CN(CCN1C2CCN(CC2)C(=O)C3=C(N=C(C=C3)Cl)N)C4=C(N=C(C(=O)N4C)C(=O)N)Cl

InChI

InChI=1S/C23H30Cl2N8O3/c1-3-13-12-32(21-18(25)29-17(20(27)34)23(36)30(21)2)10-11-33(13)14-6-8-31(9-7-14)22(35)15-4-5-16(24)28-19(15)26/h4-5,13-14H,3,6-12H2,1-2H3,(H2,26,28)(H2,27,34)/t13-/m0/s1