3-(1-adamantylcarbamoylamino)-N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(3-methylbutyl)propanamide

Systemtic Name: 3-(1-adamantylcarbamoylamino)-N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(3-methylbutyl)propanamide Openeye Name: 3-(1-adamantylcarbamoylamino)-N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-isopentyl-propanamide CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]-N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-(3-methylbutyl)propanamide IUPAC Name: 3-(1-adamantylcarbamoylamino)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)propanamide Traditional Name: 3-(1-adamantylcarbamoylamino)-N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-isoamyl-propionamide Formula: C27H44N6O4 MolecularWeight: 516.67606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3)N

InChI

InChI=1S/C27H44N6O4/c1-4-5-9-33-23(28)22(24(35)30-26(33)37)32(10-7-17(2)3)21(34)6-8-29-25(36)31-27-14-18-11-19(15-27)13-20(12-18)16-27/h17-20H,4-16,28H2,1-3H3,(H2,29,31,36)(H,30,35,37)