N-[6-[heptyl-(phenylmethyl)amino]-2-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]-4-(3-phenylpropylamino)butanamide

Systemtic Name: N-[6-[heptyl-(phenylmethyl)amino]-2-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]-4-(3-phenylpropylamino)butanamide Openeye Name: N-[6-[benzyl(heptyl)amino]-2-methyl-4-thioxo-1H-pyrimidin-5-yl]-4-(3-phenylpropylamino)butanamide CAS Name: N-[6-[heptyl-(phenylmethyl)amino]-2-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]-4-(3-phenylpropylamino)butanamide IUPAC Name: N-[6-[benzyl(heptyl)amino]-2-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]-4-(3-phenylpropylamino)butanamide Traditional Name: N-[6-[benzyl(heptyl)amino]-2-methyl-4-thioxo-1H-pyrimidin-5-yl]-4-(3-phenylpropylamino)butyramide Formula: C32H45N5OS MolecularWeight: 547.7976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CC1=CC=CC=C1)C2=C(C(=S)N=C(N2)C)NC(=O)CCCNCCCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCN(CC1=CC=CC=C1)C2=C(C(=S)N=C(N2)C)NC(=O)CCCNCCCC3=CC=CC=C3

InChI

InChI=1S/C32H45N5OS/c1-3-4-5-6-13-24-37(25-28-18-11-8-12-19-28)31-30(32(39)35-26(2)34-31)36-29(38)21-15-23-33-22-14-20-27-16-9-7-10-17-27/h7-12,16-19,33H,3-6,13-15,20-25H2,1-2H3,(H,36,38)(H,34,35,39)