N-(3-azanylpropyl)-N-[1-[6-chloranyl-4-oxidanylidene-3-(phenylmethyl)pteridin-2-yl]-2-methyl-propyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-(3-azanylpropyl)-N-[1-[6-chloranyl-4-oxidanylidene-3-(phenylmethyl)pteridin-2-yl]-2-methyl-propyl]-4-methyl-benzenesulfonamide Openeye Name: N-(3-aminopropyl)-N-[1-(3-benzyl-6-chloro-4-oxo-pteridin-2-yl)-2-methyl-propyl]-4-methyl-benzenesulfonamide CAS Name: N-(3-aminopropyl)-N-[1-[6-chloro-4-oxo-3-(phenylmethyl)-2-pteridinyl]-2-methylpropyl]-4-methylbenzenesulfonamide IUPAC Name: N-(3-aminopropyl)-N-[1-(3-benzyl-6-chloro-4-oxopteridin-2-yl)-2-methylpropyl]-4-methylbenzenesulfonamide Traditional Name: N-(3-aminopropyl)-N-[1-(3-benzyl-6-chloro-4-keto-pteridin-2-yl)-2-methyl-propyl]-4-methyl-benzenesulfonamide Formula: C27H31ClN6O3S MolecularWeight: 555.09144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCCN)C(C2=NC3=NC=C(N=C3C(=O)N2CC4=CC=CC=C4)Cl)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCCN)C(C2=NC3=NC=C(N=C3C(=O)N2CC4=CC=CC=C4)Cl)C(C)C

InChI

InChI=1S/C27H31ClN6O3S/c1-18(2)24(34(15-7-14-29)38(36,37)21-12-10-19(3)11-13-21)26-32-25-23(31-22(28)16-30-25)27(35)33(26)17-20-8-5-4-6-9-20/h4-6,8-13,16,18,24H,7,14-15,17,29H2,1-3H3