N-[(1S)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-3-pyrazin-2-yl-propanamide

Systemtic Name: N-[(1S)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-3-pyrazin-2-yl-propanamide Openeye Name: N-[(1S)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-3-pyrazin-2-yl-propanamide CAS Name: N-[(1S)-1-[2-(1-azocanyl)-4-methyl-5-pyrimidinyl]ethyl]-3-(2-pyrazinyl)propanamide IUPAC Name: N-[(1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-3-pyrazin-2-ylpropanamide Traditional Name: N-[(1S)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-3-pyrazin-2-yl-propionamide Formula: C21H30N6O MolecularWeight: 382.5025

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(C)NC(=O)CCC2=NC=CN=C2)N3CCCCCCC3

Isomeric SMILES

CC1=NC(=NC=C1[C@H](C)NC(=O)CCC2=NC=CN=C2)N3CCCCCCC3

InChI

InChI=1S/C21H30N6O/c1-16(25-20(28)9-8-18-14-22-10-11-23-18)19-15-24-21(26-17(19)2)27-12-6-4-3-5-7-13-27/h10-11,14-16H,3-9,12-13H2,1-2H3,(H,25,28)/t16-/m0/s1