1-[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]-3-[4-(diethylamino)phenyl]thiourea

Systemtic Name: 1-[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]-3-[4-(diethylamino)phenyl]thiourea Openeye Name: 1-[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]-3-[4-(diethylamino)phenyl]thiourea CAS Name: 1-[4-[2-cyanoethyl(propyl)amino]-5-pyrimidinyl]-3-[4-(diethylamino)phenyl]thiourea IUPAC Name: 1-[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]-3-[4-(diethylamino)phenyl]thiourea Traditional Name: 1-[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]-3-[4-(diethylamino)phenyl]thiourea Formula: C21H29N7S MolecularWeight: 411.56686

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC#N)C1=NC=NC=C1NC(=S)NC2=CC=C(C=C2)N(CC)CC

Isomeric SMILES

CCCN(CCC#N)C1=NC=NC=C1NC(=S)NC2=CC=C(C=C2)N(CC)CC

InChI

InChI=1S/C21H29N7S/c1-4-13-28(14-7-12-22)20-19(15-23-16-24-20)26-21(29)25-17-8-10-18(11-9-17)27(5-2)6-3/h8-11,15-16H,4-7,13-14H2,1-3H3,(H2,25,26,29)