[2-azanyl-6-methyl-1-(4-methylphenyl)-1-oxidanylidene-5-[4-oxidanylidene-3-(phenylmethyl)pteridin-2-yl]heptan-2-yl]carbamic acid

Systemtic Name: [2-azanyl-6-methyl-1-(4-methylphenyl)-1-oxidanylidene-5-[4-oxidanylidene-3-(phenylmethyl)pteridin-2-yl]heptan-2-yl]carbamic acid Openeye Name: [1-amino-4-(3-benzyl-4-oxo-pteridin-2-yl)-5-methyl-1-(4-methylbenzoyl)hexyl]carbamic acid CAS Name: [2-amino-6-methyl-1-(4-methylphenyl)-1-oxo-5-[4-oxo-3-(phenylmethyl)-2-pteridinyl]heptan-2-yl]carbamic acid IUPAC Name: [2-amino-5-(3-benzyl-4-oxopteridin-2-yl)-6-methyl-1-(4-methylphenyl)-1-oxoheptan-2-yl]carbamic acid Traditional Name: [1-amino-4-(3-benzyl-4-keto-pteridin-2-yl)-5-methyl-1-p-toluoyl-hexyl]carbamic acid Formula: C29H32N6O4 MolecularWeight: 528.60218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(CCC(C2=NC3=NC=CN=C3C(=O)N2CC4=CC=CC=C4)C(C)C)(N)NC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(CCC(C2=NC3=NC=CN=C3C(=O)N2CC4=CC=CC=C4)C(C)C)(N)NC(=O)O

InChI

InChI=1S/C29H32N6O4/c1-18(2)22(13-14-29(30,34-28(38)39)24(36)21-11-9-19(3)10-12-21)26-33-25-23(31-15-16-32-25)27(37)35(26)17-20-7-5-4-6-8-20/h4-12,15-16,18,22,34H,13-14,17,30H2,1-3H3,(H,38,39)